Deep oxidative desulfurization with task-specific ionic liquids: An experimental and computational study
Deep oxidative desulfurization with task-specific ionic liquids: An experimental and computational study
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DOI：
10.1016/j.molcata.2010.08.003
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发表时间：
2010-10
影响因子：
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通讯作者：
J. Gui;Dan Liu;Zhaolin Sun;Daosheng Liu;Dayoung Min;Busub Song;Xilai Peng
中科院分区：
文献类型：
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作者：
J. Gui;Dan Liu;Zhaolin Sun;Daosheng Liu;Dayoung Min;Busub Song;Xilai Peng
采用一系列与油不混溶、不含卤素且阳离子中含有-COOH基团的功能型酸性离子液体（TSILs）作为催化剂和萃取剂进行氧化脱硫研究。在298 K下，二苯并噻吩（DBT）和4，6-二甲基二苯并噻吩（4，6-DMDBT）的脱除率分别达到96.7%和95.1%。该催化剂可循环使用5次而催化活性无明显损失。同时，采用密度泛函理论（DFT）方法研究了TSILs的结构、酸性以及阴阳离子间的相互作用，发现TSILs的催化性能与其结构、酸性和萃取能力密切相关。此外，氧化脱硫机理已被提出。
A series of task-specific acidic ionic liquids (TSILs), immiscible with oil, halogen-free and containing –COOH group in the cations, were used for oxidative desulfurization as both the catalyst and extractant. The removal of dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (4,6-DMDBT) from model diesel at 298K could reach 96.7% and 95.1%, respectively. The TSIL could be recycled 5 times without any apparent loss of the catalytic activity. Meanwhile, the structures, acidities and interactions between the cation and the anion of TSILs have been investigated by density functional theory (DFT) method, and found that catalytic properties of TSILs are close related to the structures, acidities and extraction capabilities. Furthermore, an oxidative desulfurization mechanism has been proposed.